1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane

About 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane

1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane (PubChem CID 176983943) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane.

Molecular Properties

Compound Name	1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane
PubChem CID	176983943
Molecular Formula	C21H27N5O
Molecular Weight	365.48 g/mol
Exact Mass	365.22
IUPAC Name	1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane
SMILES	CC.CC(=O)N1CCc2c(c(N3CCCc4cc(C#N)ccc43)nn2C)C1
InChI	InChI=1S/C19H21N5O.C2H6/c1-13(25)23-9-7-18-16(12-23)19(21-22(18)2)24-8-3-4-15-10-14(11-20)5-6-17(15)24;1-2/h5-6,10H,3-4,7-9,12H2,1-2H3;1-2H3
InChIKey	CDHKQSYYPMLYDE-UHFFFAOYSA-N
XLogP	3.31
TPSA	65.16 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	1
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane?

The IUPAC name of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane (CID 176983943) is 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane.

What is the SMILES notation for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane?

The canonical SMILES for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane is CC.CC(=O)N1CCc2c(c(N3CCCc4cc(C#N)ccc43)nn2C)C1.

What is the InChIKey of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane?

The InChIKey is CDHKQSYYPMLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.C2H6/c1-13(25)23-9-7-18-16(12-23)19(21-22(18)2)24-8-3-4-15-10-14(11-20)5-6-17(15)24;1-2/h5-6,10H,3-4,7-9,12H2,1-2H3;1-2H3.

What are the key properties of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane?

1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane has a molecular weight of 365.48 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane is sourced from PubChem (CID 176983943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).